AG00DBF6

50478-16-5 | 5-CHLORO-2-THIOPHENECARBONITRILE

AG00DBF6

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CAS Number	50478-16-5
Catalog Number	AG00DBF6(AGN-PC-0NI2KF)
Chemical Name	5-CHLORO-2-THIOPHENECARBONITRILE
IUPAC Name	5-chlorothiophene-2-carbonitrile
InChI	InChI=1S/C5H2ClNS/c6-5-2-1-4(3-7)8-5/h1-2H
InChI Key	MZALEEOEVCTDJA-UHFFFAOYSA-N
MDL Number	MFCD09265032
Molecular Formula	C5H2ClNS
Molecular Weight	143.5941
SMILES	N#CC1=CC=C(Cl)S1
Synonyms	5-chlorothiophene-2-carbonitrile, 50478-16-5, 5-Chloro-2-thiophenecarbonitrile, 2-Thiophenecarbonitrile, 5-chloro-, AC1Q3JWQ, ACMC-1AR3Y, 2-cyano-5-chlorothiophene, 2-Chloro-5-cyanothiophene, SCHEMBL4963736, CTK1G8927, DTXSID50480297, 5-chloro-thiophene-2-carbonitrile, MZALEEOEVCTDJA-UHFFFAOYSA-N, 5-chloranylthiophene-2-carbonitrile, 6946AB, MFCD09265032, RW2789, ZINC36893202, AKOS009311874, CC-1636, MCULE-5678558209, PB17611, QC-2582, 5-Chloro-2-thiophenecarbonitrile, 97%, AJ-93406, AK113512, SC-52201, AB0095305, TC-010074, CS-0053914, FT-0707827, EN300-65348, Q-1089, A828135, Z1251171234, C5H2ClNS,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.96g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	143.588g/mol
Monoisotopic Mass	142.96g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H310+H330-H318
Packing Group	Ⅲ
Precautionary statements	P260-P280-P301+P310-P302+P352-P305+P351+P338-P310
UN Code	UN 2810

Certificate of Analysis

Lot Number